############################################################################## ### ### ### Electronic paper (Acta Crystallographica Section E) ### ### ### ############################################################################## # # # This CIF contains the data in a paper accepted for publication in Acta # # Crystallographica Section E. It conforms to the requirements of Notes # # for Authors for Section E, and has been peer reviewed under the auspices # # of the IUCr Commission on Journals. # # # # Full details of the Crystallographic Information File format # # are given in the paper "The Crystallographic Information File (CIF): # # a New Standard Archive File for Crystallography" by S. R. Hall, F. H. # # Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685]. # # # # The current version of the core CIF dictionary is obtainable from # # ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4. # # # # Software is freely available for graphical display of the structure(s) in # # this CIF. For information consult the CIF home page http://www.iucr.org/ # # cif/home.html # # # # This file may be used for bona fide research purposes within the # # scientific community so long as proper attribution is given to the journal # # article from which it was obtained. # # # ############################################################################## data_I _audit_creation_method SHELXL-97 _chemical_name_systematic ; fluoren-9-ylmethyl N-(1-carboxy-2-methylbutyl)carbamate ; _chemical_name_common ; N-(Fluoren-9-ylmethoxycarbonyl)-L-isoleucine ; _chemical_formula_moiety 'C21 H23 N O4' _chemical_formula_sum 'C21 H23 N O4' _chemical_formula_iupac 'C21 H23 N O4' _chemical_formula_weight 353.40 _chemical_melting_point ? _symmetry_cell_setting 'orthorhombic' _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall 'P 2ac 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x+1/2, -y, z+1/2' _cell_length_a 5.3337(2) _cell_length_b 13.6965(4) _cell_length_c 25.2514(9) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1844.70(11) _cell_formula_units_Z 4 _cell_measurement_reflns_used 19896 _cell_measurement_theta_min 1.61 _cell_measurement_theta_max 31.00 _cell_measurement_temperature 90 _exptl_crystal_description 'needle' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.77 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _exptl_crystal_density_diffrn 1.272 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 752 _exptl_absorpt_coefficient_mu 0.088 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; All Friedel pairs were merged, and all f''s of containing atoms were set to zero. ; _diffrn_ambient_temperature 90 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_source 'fine-focus rotating anode' _diffrn_radiation_monochromator 'confocal' _diffrn_measurement_device_type 'Rigaku AFC-8 with Saturn70 CCD' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 28.5714 _diffrn_reflns_number 19825 _diffrn_reflns_av_R_equivalents 0.0429 _diffrn_reflns_av_sigmaI/netI 0.0313 _diffrn_reflns_theta_min 1.61 _diffrn_reflns_theta_max 31.00 _diffrn_reflns_theta_full 31.00 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measured_fraction_theta_full 0.991 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_limit_l_max 36 _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _refine_special_details ; Refinement of F^2^ against all reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on all data will be even larger. ; _reflns_number_total 3351 _reflns_number_gt 2993 _reflns_threshold_expression I>2\s(I) _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_R_factor_all 0.0412 _refine_ls_R_factor_gt 0.0340 _refine_ls_wR_factor_gt 0.0797 _refine_ls_wR_factor_ref 0.0838 _refine_ls_goodness_of_fit_ref 1.030 _refine_ls_restrained_S_all 1.030 _refine_ls_number_reflns 3351 _refine_ls_number_parameters 327 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment refall _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0427P)^2^+0.2178P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.230 _refine_diff_density_min -0.177 _refine_ls_extinction_method none _refine_ls_extinction_coef ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0 'International Tables Vol C Tables 4.2.6.8' 'H' 'H' 0.0000 0 'International Tables Vol C Tables 4.2.6.8' 'N' 'N' 0.0061 0 'International Tables Vol C Tables 4.2.6.8' 'O' 'O' 0.0106 0 'International Tables Vol C Tables 4.2.6.8' _computing_data_collection 'CrystalClear (Rigaku/MSC, 2005)' _computing_cell_refinement 'HKL-2000 (Otwinowski & Minor, 1997)' _computing_data_reduction 'HKL-2000 (Otwinowski & Minor, 1997)' _computing_structure_solution 'SIR2004 (Burla et al., 2005)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_molecular_graphics 'ORTEP-3 for Windows (Farrugia, 1997)' _computing_publication_material 'SHELXL97 (Sheldrick, 2008)' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O O1 -0.0029(2) 0.12876(8) 0.48657(4) 0.0236(2) Uani d . 1 . . H H1H -0.038(4) 0.1865(16) 0.5004(8) 0.040(6) Uiso d . 1 . . O O2 0.3719(2) 0.19896(8) 0.47355(4) 0.0287(2) Uani d . 1 . . O O3 0.4252(2) 0.06814(8) 0.34059(4) 0.0254(2) Uani d . 1 . . O O4 0.83023(19) 0.09577(8) 0.36430(4) 0.0219(2) Uani d . 1 . . N N1 0.5644(2) 0.03926(9) 0.42480(4) 0.0201(2) Uani d . 1 . . H H1N 0.683(4) 0.0588(14) 0.4465(7) 0.028(5) Uiso d . 1 . . C C1 0.3145(3) 0.03122(10) 0.44681(5) 0.0198(3) Uani d . 1 . . H H1 0.201(4) 0.0187(13) 0.4152(7) 0.029(5) Uiso d . 1 . . C C2 0.2942(3) -0.05077(10) 0.48868(5) 0.0221(3) Uani d . 1 . . H H2 0.124(4) -0.0497(14) 0.5026(7) 0.025(5) Uiso d . 1 . . C C3 0.4615(4) -0.03098(13) 0.53677(6) 0.0322(4) Uani d . 1 . . H H3A 0.641(5) -0.0353(16) 0.5239(9) 0.045(6) Uiso d . 1 . . H H3B 0.433(4) 0.0382(16) 0.5491(8) 0.043(6) Uiso d . 1 . . C C4 0.4141(5) -0.10079(16) 0.58280(7) 0.0429(5) Uani d . 1 . . H H4A 0.524(5) -0.0821(19) 0.6146(10) 0.063(7) Uiso d . 1 . . H H4B 0.449(5) -0.1707(17) 0.5734(9) 0.050(6) Uiso d . 1 . . H H4C 0.237(6) -0.1000(19) 0.5925(10) 0.067(8) Uiso d . 1 . . C C5 0.3466(4) -0.14964(12) 0.46325(7) 0.0321(4) Uani d . 1 . . H H5A 0.235(4) -0.1587(15) 0.4308(9) 0.043(6) Uiso d . 1 . . H H5B 0.302(4) -0.2030(14) 0.4887(8) 0.034(5) Uiso d . 1 . . H H5C 0.526(5) -0.1554(16) 0.4525(8) 0.040(6) Uiso d . 1 . . C C6 0.2335(3) 0.12921(10) 0.47018(5) 0.0209(3) Uani d . 1 . . C C7 0.5913(3) 0.06860(10) 0.37335(5) 0.0195(3) Uani d . 1 . . C C8 0.8909(3) 0.12808(11) 0.31097(5) 0.0214(3) Uani d . 1 . . H H8A 1.018(4) 0.0822(13) 0.2966(7) 0.023(4) Uiso d . 1 . . H H8B 0.746(3) 0.1242(12) 0.2898(6) 0.016(4) Uiso d . 1 . . C C9 0.9917(3) 0.23248(10) 0.31308(5) 0.0218(3) Uani d . 1 . . H H9 1.136(4) 0.2340(14) 0.3393(7) 0.033(5) Uiso d . 1 . . C C10 0.7894(3) 0.30772(10) 0.32413(5) 0.0227(3) Uani d . 1 . . C C11 0.6461(3) 0.32177(11) 0.36923(6) 0.0273(3) Uani d . 1 . . H H11 0.678(4) 0.2802(14) 0.4013(7) 0.032(5) Uiso d . 1 . . C C12 0.4624(3) 0.39449(12) 0.36893(6) 0.0307(3) Uani d . 1 . . H H12 0.365(4) 0.4056(14) 0.4011(8) 0.037(5) Uiso d . 1 . . C C13 0.4225(3) 0.45181(12) 0.32390(7) 0.0307(3) Uani d . 1 . . H H13 0.289(4) 0.5019(16) 0.3241(8) 0.038(5) Uiso d . 1 . . C C14 0.5681(3) 0.43873(11) 0.27881(6) 0.0272(3) Uani d . 1 . . H H14 0.540(4) 0.4779(14) 0.2461(8) 0.033(5) Uiso d . 1 . . C C15 0.7524(3) 0.36682(10) 0.27912(5) 0.0222(3) Uani d . 1 . . C C16 0.9326(3) 0.33767(10) 0.23824(5) 0.0218(3) Uani d . 1 . . C C17 0.9758(3) 0.37521(11) 0.18767(5) 0.0251(3) Uani d . 1 . . H H17 0.877(4) 0.4283(15) 0.1741(7) 0.033(5) Uiso d . 1 . . C C18 1.1730(3) 0.33647(11) 0.15819(6) 0.0271(3) Uani d . 1 . . H H18 1.201(4) 0.3628(13) 0.1225(7) 0.027(4) Uiso d . 1 . . C C19 1.3197(3) 0.26081(11) 0.17784(6) 0.0270(3) Uani d . 1 . . H H19 1.452(4) 0.2330(14) 0.1573(7) 0.030(5) Uiso d . 1 . . C C20 1.2715(3) 0.22127(11) 0.22789(6) 0.0248(3) Uani d . 1 . . H H20 1.374(4) 0.1663(14) 0.2398(7) 0.029(5) Uiso d . 1 . . C C21 1.0792(3) 0.26106(10) 0.25795(5) 0.0219(3) Uani d . 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1 0.0187(5) 0.0237(5) 0.0284(5) 0.0005(4) 0.0011(4) -0.0042(4) O2 0.0264(6) 0.0232(5) 0.0365(5) -0.0060(5) 0.0050(5) -0.0056(4) O3 0.0191(5) 0.0341(5) 0.0231(4) -0.0028(5) -0.0025(4) 0.0014(4) O4 0.0169(5) 0.0277(5) 0.0210(4) -0.0022(4) -0.0003(4) 0.0047(4) N1 0.0162(5) 0.0243(5) 0.0199(5) -0.0010(5) -0.0006(4) 0.0006(4) C1 0.0166(6) 0.0209(6) 0.0219(6) -0.0012(5) 0.0009(5) -0.0011(5) C2 0.0196(6) 0.0214(6) 0.0254(6) -0.0013(5) 0.0031(5) 0.0008(5) C3 0.0373(10) 0.0340(8) 0.0253(7) -0.0043(7) -0.0023(6) 0.0050(6) C4 0.0577(13) 0.0424(10) 0.0287(8) -0.0021(10) -0.0003(8) 0.0117(7) C5 0.0400(10) 0.0229(7) 0.0334(7) 0.0015(7) 0.0038(7) 0.0012(6) C6 0.0197(7) 0.0229(6) 0.0203(5) -0.0006(6) -0.0005(5) -0.0009(5) C7 0.0177(6) 0.0186(6) 0.0222(6) -0.0001(5) 0.0011(5) -0.0005(4) C8 0.0203(7) 0.0250(6) 0.0189(5) -0.0008(6) 0.0003(5) 0.0040(5) C9 0.0197(6) 0.0244(6) 0.0214(6) -0.0024(5) -0.0004(5) 0.0024(5) C10 0.0221(7) 0.0228(6) 0.0233(6) -0.0024(6) -0.0008(5) -0.0009(5) C11 0.0298(8) 0.0280(7) 0.0239(6) -0.0033(6) 0.0026(6) -0.0008(5) C12 0.0306(8) 0.0310(8) 0.0306(7) -0.0015(7) 0.0065(6) -0.0053(6) C13 0.0287(8) 0.0268(7) 0.0367(7) 0.0032(7) 0.0011(6) -0.0055(6) C14 0.0292(8) 0.0239(7) 0.0287(7) 0.0014(6) -0.0022(6) -0.0001(5) C15 0.0217(7) 0.0215(6) 0.0234(6) -0.0035(6) -0.0012(5) -0.0013(5) C16 0.0206(7) 0.0215(6) 0.0234(6) -0.0034(5) -0.0004(5) -0.0001(5) C17 0.0295(8) 0.0228(6) 0.0230(6) -0.0015(6) -0.0005(6) 0.0018(5) C18 0.0322(9) 0.0267(7) 0.0224(6) -0.0064(6) 0.0031(6) 0.0012(5) C19 0.0245(8) 0.0290(7) 0.0274(6) -0.0037(6) 0.0040(6) -0.0027(5) C20 0.0209(7) 0.0257(7) 0.0277(6) -0.0028(6) 0.0008(6) 0.0007(5) C21 0.0192(7) 0.0233(6) 0.0230(6) -0.0039(6) -0.0005(5) 0.0012(5) _geom_special_details ; All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1 C6 . 1.3270(18) ? O1 H1H . 0.88(2) ? O2 C6 . 1.2102(18) ? O3 C7 . 1.2122(17) ? O4 C7 . 1.3471(17) ? O4 C8 . 1.4541(16) ? N1 C7 . 1.3675(17) ? N1 C1 . 1.4484(18) ? N1 H1N . 0.88(2) ? C1 C6 . 1.5284(19) ? C1 C2 . 1.5462(19) ? C1 H1 . 1.015(19) ? C2 C5 . 1.525(2) ? C2 C3 . 1.531(2) ? C2 H2 . 0.975(19) ? C3 C4 . 1.526(2) ? C3 H3A . 1.01(2) ? C3 H3B . 1.01(2) ? C4 H4A . 1.03(3) ? C4 H4B . 1.00(2) ? C4 H4C . 0.98(3) ? C5 H5A . 1.02(2) ? C5 H5B . 1.00(2) ? C5 H5C . 1.00(2) ? C8 C9 . 1.529(2) ? C8 H8A . 0.993(19) ? C8 H8B . 0.942(17) ? C9 C10 . 1.518(2) ? C9 C21 . 1.5196(18) ? C9 H9 . 1.01(2) ? C10 C11 . 1.385(2) ? C10 C15 . 1.4092(19) ? C11 C12 . 1.397(2) ? C11 H11 . 1.005(19) ? C12 C13 . 1.398(2) ? C12 H12 . 0.98(2) ? C13 C14 . 1.390(2) ? C13 H13 . 0.99(2) ? C14 C15 . 1.392(2) ? C14 H14 . 1.00(2) ? C15 C16 . 1.466(2) ? C16 C17 . 1.3957(19) ? C16 C21 . 1.400(2) ? C17 C18 . 1.393(2) ? C17 H17 . 0.96(2) ? C18 C19 . 1.390(2) ? C18 H18 . 0.983(18) ? C19 C20 . 1.399(2) ? C19 H19 . 0.96(2) ? C20 C21 . 1.387(2) ? C20 H20 . 0.98(2) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C6 O1 H1H . . 108.7(15) ? C7 O4 C8 . . 116.86(11) ? C7 N1 C1 . . 118.91(12) ? C7 N1 H1N . . 115.3(12) ? C1 N1 H1N . . 116.5(12) ? N1 C1 C6 . . 109.97(11) ? N1 C1 C2 . . 112.46(11) ? C6 C1 C2 . . 110.73(11) ? N1 C1 H1 . . 105.0(11) ? C6 C1 H1 . . 106.5(10) ? C2 C1 H1 . . 111.9(11) ? C5 C2 C3 . . 112.62(14) ? C5 C2 C1 . . 110.13(12) ? C3 C2 C1 . . 111.90(12) ? C5 C2 H2 . . 109.7(11) ? C3 C2 H2 . . 104.8(10) ? C1 C2 H2 . . 107.5(11) ? C4 C3 C2 . . 113.36(15) ? C4 C3 H3A . . 111.4(12) ? C2 C3 H3A . . 106.6(13) ? C4 C3 H3B . . 109.2(12) ? C2 C3 H3B . . 108.9(12) ? H3A C3 H3B . . 107.1(19) ? C3 C4 H4A . . 110.2(15) ? C3 C4 H4B . . 112.8(13) ? H4A C4 H4B . . 109(2) ? C3 C4 H4C . . 110.1(16) ? H4A C4 H4C . . 111(2) ? H4B C4 H4C . . 104(2) ? C2 C5 H5A . . 109.8(12) ? C2 C5 H5B . . 109.5(11) ? H5A C5 H5B . . 106.7(17) ? C2 C5 H5C . . 111.2(13) ? H5A C5 H5C . . 109.4(17) ? H5B C5 H5C . . 110.2(17) ? O2 C6 O1 . . 124.13(13) ? O2 C6 C1 . . 123.22(13) ? O1 C6 C1 . . 112.64(12) ? O3 C7 O4 . . 125.25(12) ? O3 C7 N1 . . 124.76(13) ? O4 C7 N1 . . 109.97(12) ? O4 C8 C9 . . 109.32(11) ? O4 C8 H8A . . 107.3(10) ? C9 C8 H8A . . 111.3(10) ? O4 C8 H8B . . 109.0(10) ? C9 C8 H8B . . 111.2(10) ? H8A C8 H8B . . 108.6(14) ? C10 C9 C21 . . 102.23(11) ? C10 C9 C8 . . 113.04(12) ? C21 C9 C8 . . 108.49(11) ? C10 C9 H9 . . 113.8(11) ? C21 C9 H9 . . 111.1(11) ? C8 C9 H9 . . 108.0(11) ? C11 C10 C15 . . 120.39(14) ? C11 C10 C9 . . 129.63(13) ? C15 C10 C9 . . 109.96(12) ? C10 C11 C12 . . 118.80(14) ? C10 C11 H11 . . 119.3(11) ? C12 C11 H11 . . 121.9(11) ? C11 C12 C13 . . 120.76(15) ? C11 C12 H12 . . 118.6(12) ? C13 C12 H12 . . 120.6(12) ? C14 C13 C12 . . 120.59(15) ? C14 C13 H13 . . 119.7(12) ? C12 C13 H13 . . 119.7(12) ? C13 C14 C15 . . 118.76(14) ? C13 C14 H14 . . 121.6(12) ? C15 C14 H14 . . 119.6(12) ? C14 C15 C10 . . 120.68(13) ? C14 C15 C16 . . 130.69(13) ? C10 C15 C16 . . 108.64(13) ? C17 C16 C21 . . 120.60(13) ? C17 C16 C15 . . 130.71(14) ? C21 C16 C15 . . 108.66(12) ? C18 C17 C16 . . 118.24(14) ? C18 C17 H17 . . 120.8(12) ? C16 C17 H17 . . 121.0(12) ? C19 C18 C17 . . 121.20(14) ? C19 C18 H18 . . 121.0(11) ? C17 C18 H18 . . 117.7(11) ? C18 C19 C20 . . 120.52(15) ? C18 C19 H19 . . 121.3(11) ? C20 C19 H19 . . 118.1(11) ? C21 C20 C19 . . 118.54(14) ? C21 C20 H20 . . 123.1(11) ? C19 C20 H20 . . 118.4(11) ? C20 C21 C16 . . 120.86(12) ? C20 C21 C9 . . 128.82(13) ? C16 C21 C9 . . 110.31(12) ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C7 N1 C1 C6 . . . . -88.14(15) ? C7 N1 C1 C2 . . . . 147.96(12) ? N1 C1 C2 C5 . . . . -62.96(16) ? C6 C1 C2 C5 . . . . 173.56(13) ? N1 C1 C2 C3 . . . . 63.11(16) ? C6 C1 C2 C3 . . . . -60.37(16) ? C5 C2 C3 C4 . . . . -65.0(2) ? C1 C2 C3 C4 . . . . 170.27(15) ? N1 C1 C6 O2 . . . . -6.34(19) ? C2 C1 C6 O2 . . . . 118.56(15) ? N1 C1 C6 O1 . . . . 174.17(11) ? C2 C1 C6 O1 . . . . -60.94(15) ? C8 O4 C7 O3 . . . . 0.8(2) ? C8 O4 C7 N1 . . . . 179.33(11) ? C1 N1 C7 O3 . . . . -17.2(2) ? C1 N1 C7 O4 . . . . 164.18(11) ? C7 O4 C8 C9 . . . . 121.17(13) ? O4 C8 C9 C10 . . . . -73.17(14) ? O4 C8 C9 C21 . . . . 174.19(12) ? C21 C9 C10 C11 . . . . -177.33(15) ? C8 C9 C10 C11 . . . . 66.3(2) ? C21 C9 C10 C15 . . . . 4.25(15) ? C8 C9 C10 C15 . . . . -112.17(13) ? C15 C10 C11 C12 . . . . 0.9(2) ? C9 C10 C11 C12 . . . . -177.41(15) ? C10 C11 C12 C13 . . . . 0.4(2) ? C11 C12 C13 C14 . . . . -1.2(3) ? C12 C13 C14 C15 . . . . 0.7(2) ? C13 C14 C15 C10 . . . . 0.6(2) ? C13 C14 C15 C16 . . . . -179.33(15) ? C11 C10 C15 C14 . . . . -1.4(2) ? C9 C10 C15 C14 . . . . 177.23(13) ? C11 C10 C15 C16 . . . . 178.54(13) ? C9 C10 C15 C16 . . . . -2.87(16) ? C14 C15 C16 C17 . . . . 1.9(3) ? C10 C15 C16 C17 . . . . -178.03(15) ? C14 C15 C16 C21 . . . . 179.97(15) ? C10 C15 C16 C21 . . . . 0.08(16) ? C21 C16 C17 C18 . . . . -1.9(2) ? C15 C16 C17 C18 . . . . 176.00(14) ? C16 C17 C18 C19 . . . . 1.5(2) ? C17 C18 C19 C20 . . . . 0.3(2) ? C18 C19 C20 C21 . . . . -1.8(2) ? C19 C20 C21 C16 . . . . 1.4(2) ? C19 C20 C21 C9 . . . . -179.33(14) ? C17 C16 C21 C20 . . . . 0.5(2) ? C15 C16 C21 C20 . . . . -177.88(13) ? C17 C16 C21 C9 . . . . -178.93(13) ? C15 C16 C21 C9 . . . . 2.74(16) ? C10 C9 C21 C20 . . . . 176.47(14) ? C8 C9 C21 C20 . . . . -63.88(19) ? C10 C9 C21 C16 . . . . -4.22(15) ? C8 C9 C21 C16 . . . . 115.44(13) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA O1 H1H O2 2_456 0.88(2) 1.77(2) 2.6511(14) 176(2) N1 H1N O1 1_655 0.88(2) 2.18(2) 3.0433(16) 167.6(17) data_global _journal_date_recd_electronic 2008-07-09 _journal_date_accepted 2008-07-14 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2008 _journal_volume 64 _journal_issue 8 _journal_page_first o1533 _journal_page_last o1533 _journal_paper_category QO _journal_coeditor_code IS2313 _publ_contact_author_name 'Kazuhiko Yamada' _publ_contact_author_address ; National Institute for Materials Science, 3-13 Sakura, Tsukuba 305-0003, Japan ; _publ_contact_author_email yamada.kazuhiko@nims.go.jp _publ_contact_author_fax '+81-298-863-5571' _publ_contact_author_phone '+81-298-863-5534' _publ_section_title ; N-(Fluoren-9-ylmethoxycarbonyl)-L-isoleucine ; loop_ _publ_author_name _publ_author_footnote _publ_author_address 'Yamada, Kazuhiko' . ; National Institute for Materials Science, 3-13 Sakura, Tsukuba 305-0003, Japan ; 'Hashizume, Daisuke' . ; Advanced Technology Support Division, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan ; 'Shimizu, Tadashi' . ; National Institute for Materials Science, 3-13 Sakura, Tsukuba 305-0003, Japan ; 'Deguchi, Kenzo' . ; National Institute for Materials Science, 3-13 Sakura, Tsukuba 305-0003, Japan ;